1-[2-[2-(methylaminomethyl)piperidin-1-yl]acetyl]piperidine-3-carboxamide

C15H28N4O2 — CID 63250205

IUPAC1-[2-[2-(methylaminomethyl)piperidin-1-yl]acetyl]piperidine-3-carboxamide
SMILESCNCC1CCCCN1CC(=O)N1CCCC(C(N)=O)C1
InChIInChI=1S/C15H28N4O2/c1-17-9-13-6-2-3-7-18(13)11-14(20)19-8-4-5-12(10-19)15(16)21/h12-13,17H,2-11H2,1H3,(H2,16,21)
InChIKeyUQZAZIBCZLKVOS-UHFFFAOYSA-N
MW296.41 g/mol
LogP-0.22
Rot. Bonds5

About 1-[2-[2-(methylaminomethyl)piperidin-1-yl]acetyl]piperidine-3-carboxamide

1-[2-[2-(methylaminomethyl)piperidin-1-yl]acetyl]piperidine-3-carboxamide (PubChem CID 63250205) has the molecular formula C15H28N4O2 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-[2-[2-(methylaminomethyl)piperidin-1-yl]acetyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[2-(methylaminomethyl)piperidin-1-yl]acetyl]piperidine-3-carboxamide
PubChem CID63250205
Molecular FormulaC15H28N4O2
Molecular Weight296.41 g/mol
Exact Mass296.22
IUPAC Name1-[2-[2-(methylaminomethyl)piperidin-1-yl]acetyl]piperidine-3-carboxamide
SMILESCNCC1CCCCN1CC(=O)N1CCCC(C(N)=O)C1
InChIInChI=1S/C15H28N4O2/c1-17-9-13-6-2-3-7-18(13)11-14(20)19-8-4-5-12(10-19)15(16)21/h12-13,17H,2-11H2,1H3,(H2,16,21)
InChIKeyUQZAZIBCZLKVOS-UHFFFAOYSA-N
XLogP-0.22
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(methylaminomethyl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 63249944
1-(4-acetylpiperazin-1-yl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 81490555
1-[2-[2-(aminomethyl)-4-methylpiperidin-1-yl]acetyl]piperidine-3-carboxamide
CID 103442118
2-[2-(methylaminomethyl)piperidin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 63249850
1-(2,6-dimethylpiperidin-1-yl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 81490562
2-[2-[(2-methylpropylamino)methyl]piperidin-1-yl]-1-piperidin-1-ylethanone
CID 63854605
methyl 3-(3-carbamoylpiperidin-1-yl)-3-oxopropanoate
CID 134069304
2-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 63849232
2-[2-(aminomethyl)pyrrolidin-1-yl]-1-(azepan-1-yl)ethanone;hydrochloride
CID 119926984
1-(azepan-1-yl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 62013945
(3R)-1-(2-chloroacetyl)piperidine-3-carboxamide
CID 9115268
1-[(3R)-3-(methylaminomethyl)piperidin-1-yl]-2-[(2S)-2-methylpyrrolidin-1-yl]ethanone
CID 124687749

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(methylaminomethyl)piperidin-1-yl]acetyl]piperidine-3-carboxamide?
The IUPAC name of 1-[2-[2-(methylaminomethyl)piperidin-1-yl]acetyl]piperidine-3-carboxamide (CID 63250205) is 1-[2-[2-(methylaminomethyl)piperidin-1-yl]acetyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-[2-(methylaminomethyl)piperidin-1-yl]acetyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[2-[2-(methylaminomethyl)piperidin-1-yl]acetyl]piperidine-3-carboxamide is CNCC1CCCCN1CC(=O)N1CCCC(C(N)=O)C1.
What is the InChIKey of 1-[2-[2-(methylaminomethyl)piperidin-1-yl]acetyl]piperidine-3-carboxamide?
The InChIKey is UQZAZIBCZLKVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-17-9-13-6-2-3-7-18(13)11-14(20)19-8-4-5-12(10-19)15(16)21/h12-13,17H,2-11H2,1H3,(H2,16,21).
What are the key properties of 1-[2-[2-(methylaminomethyl)piperidin-1-yl]acetyl]piperidine-3-carboxamide?
1-[2-[2-(methylaminomethyl)piperidin-1-yl]acetyl]piperidine-3-carboxamide has a molecular weight of 296.41 g/mol, XLogP of -0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(methylaminomethyl)piperidin-1-yl]acetyl]piperidine-3-carboxamide is sourced from PubChem (CID 63250205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).